4-chloro-N-ethyl-3-propoxyaniline

C11H16ClNO — CID 143061736

IUPAC4-chloro-N-ethyl-3-propoxyaniline
SMILESCCCOc1cc(NCC)ccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-7-14-11-8-9(13-4-2)5-6-10(11)12/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCCLNRDCDBINZSE-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.56
Rot. Bonds5

About 4-chloro-N-ethyl-3-propoxyaniline

4-chloro-N-ethyl-3-propoxyaniline (PubChem CID 143061736) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-propoxyaniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-propoxyaniline
PubChem CID143061736
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-chloro-N-ethyl-3-propoxyaniline
SMILESCCCOc1cc(NCC)ccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-7-14-11-8-9(13-4-2)5-6-10(11)12/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCCLNRDCDBINZSE-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3,4-dipropoxyaniline
CID 83961551
tert-butyl N-[4-chloro-3-(2-propoxyethoxy)phenyl]carbamate
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N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline
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3-chloro-N-[(3,5-dimethylphenyl)methyl]-4-propoxyaniline
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CID 83961561
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
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3-bromo-4-chloro-N-ethylaniline;hydrochloride
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N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
1-N-(4-chloro-3-methoxyphenyl)-3-propoxybenzene-1,2-diamine
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N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline
CID 135141091

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-propoxyaniline?
The IUPAC name of 4-chloro-N-ethyl-3-propoxyaniline (CID 143061736) is 4-chloro-N-ethyl-3-propoxyaniline.
What is the SMILES notation for 4-chloro-N-ethyl-3-propoxyaniline?
The canonical SMILES for 4-chloro-N-ethyl-3-propoxyaniline is CCCOc1cc(NCC)ccc1Cl.
What is the InChIKey of 4-chloro-N-ethyl-3-propoxyaniline?
The InChIKey is CCLNRDCDBINZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-7-14-11-8-9(13-4-2)5-6-10(11)12/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-3-propoxyaniline?
4-chloro-N-ethyl-3-propoxyaniline has a molecular weight of 213.71 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-propoxyaniline is sourced from PubChem (CID 143061736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).